108168-71-4
CIS-1-HYDROXY-2-(1-METHYLETHYL)-CYCLOHEXANECARBONITRILE
NameCIS-1-HYDROXY-2-(1-METHYLETHYL)-CYCLOHEXANECARBONITRILE
1Identification
【Name】
CIS-1-HYDROXY-2-(1-METHYLETHYL)-CYCLOHEXANECARBONITRILE
【CAS】
【MDL】
MFCD18832454
【English Synonyms】
【Formula】
C10 H17 N O
【MolWeight】
167.25
【Inchi】
InChI=1S/C10H17NO/c1-8(2)9-5-3-4-6-10(9,12)7-11/h8-9,12H,3-6H2,1-2H3/t9-,10-/m1/s1
【InChIKey】
InChIKey=NBWURZSRWYYFGI-NXEZZACHSA-N
【SMILES】
CC(C)[C@H]1CCCC[C@]1(C#N)O
【MOL File】
CIS-1-HYDROXY-2-(1-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-1-HYDROXY-2-(1-METHYLETHYL)-CYCLOHEXANECARBONITRILE.cml